N-[(2R)-1-(1H-benzimidazol-2-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[(2R)-1-(1H-benzimidazol-2-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-ylcarbamoyl)-3-methylsulfanyl-propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[(2R)-1-(1H-benzimidazol-2-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[(2R)-1-(1H-benzimidazol-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-ylcarbamoyl)-3-(methylthio)propyl]-2-chloro-5-nitro-benzamide Formula: C19H18ClN5O4S MolecularWeight: 447.89532

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSCC[C@H](C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN5O4S/c1-30-9-8-16(18(27)24-19-22-14-4-2-3-5-15(14)23-19)21-17(26)12-10-11(25(28)29)6-7-13(12)20/h2-7,10,16H,8-9H2,1H3,(H,21,26)(H2,22,23,24,27)/t16-/m1/s1